NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
532230 |
2l21   |
17110 | cing | 2-parsed | STAR | distance | hydrogen bond | simple | 32 |
data_2l21_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2l21
_Study_list.ID 1
loop_
_Study.ID
_Study.Name
_Study.Type
_Study.Details
_Study.Entry_ID
_Study.Study_list_ID
1 "Conversion project" NMR . parsed_2l21 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2l21
_Entry.Title "Original constraint list(s)"
_Entry.Version_type original
_Entry.Submission_date .
_Entry.Accession_date .
_Entry.Last_release_date .
_Entry.Original_release_date .
_Entry.Origination .
_Entry.NMR_STAR_version 3.1
_Entry.Original_NMR_STAR_version .
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype .
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 2l21 "Master copy" parsed_2l21
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2l21
_Constraint_stat_list.ID 1
loop_
_Constraint_file.ID
_Constraint_file.Constraint_filename
_Constraint_file.Software_ID
_Constraint_file.Software_label
_Constraint_file.Software_name
_Constraint_file.Block_ID
_Constraint_file.Constraint_type
_Constraint_file.Constraint_subtype
_Constraint_file.Constraint_subsubtype
_Constraint_file.Constraint_number
_Constraint_file.Entry_ID
_Constraint_file.Constraint_stat_list_ID
1 2l21.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2l21 1
1 2l21.mr . . XPLOR/CNS 2 distance NOE ambi 1067 parsed_2l21 1
1 2l21.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 315 parsed_2l21 1
1 2l21.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 32 parsed_2l21 1
1 2l21.mr . . XPLOR/CNS 5 distance NOE ambi 0 parsed_2l21 1
1 2l21.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2l21 1
stop_
save_
save_CNS/XPLOR_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2l21
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 4
_Distance_constraint_list.Details "Generated by Wattos"
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . parsed_2l21 1
2 1 . . . parsed_2l21 1
3 1 . . . parsed_2l21 1
4 1 . . . parsed_2l21 1
5 1 . . . parsed_2l21 1
6 1 . . . parsed_2l21 1
7 1 . . . parsed_2l21 1
8 1 . . . parsed_2l21 1
9 1 . . . parsed_2l21 1
10 1 . . . parsed_2l21 1
11 1 . . . parsed_2l21 1
12 1 . . . parsed_2l21 1
13 1 . . . parsed_2l21 1
14 1 . . . parsed_2l21 1
15 1 . . . parsed_2l21 1
16 1 . . . parsed_2l21 1
17 1 . . . parsed_2l21 1
18 1 . . . parsed_2l21 1
19 1 . . . parsed_2l21 1
20 1 . . . parsed_2l21 1
21 1 . . . parsed_2l21 1
22 1 . . . parsed_2l21 1
23 1 . . . parsed_2l21 1
24 1 . . . parsed_2l21 1
25 1 . . . parsed_2l21 1
26 1 . . . parsed_2l21 1
27 1 . . . parsed_2l21 1
28 1 . . . parsed_2l21 1
29 1 . . . parsed_2l21 1
30 1 . . . parsed_2l21 1
31 1 . . . parsed_2l21 1
32 1 . . . parsed_2l21 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 . . . . . . . . . 11 . O parsed_2l21 1
1 1 2 . . . . . . . . . 20 . N parsed_2l21 1
2 1 1 . . . . . . . . . 20 . O parsed_2l21 1
2 1 2 . . . . . . . . . 11 . N parsed_2l21 1
3 1 1 . . . . . . . . . 31 . O parsed_2l21 1
3 1 2 . . . . . . . . . 43 . N parsed_2l21 1
4 1 1 . . . . . . . . . 40 . O parsed_2l21 1
4 1 2 . . . . . . . . . 62 . N parsed_2l21 1
5 1 1 . . . . . . . . . 42 . O parsed_2l21 1
5 1 2 . . . . . . . . . 60 . N parsed_2l21 1
6 1 1 . . . . . . . . . 43 . O parsed_2l21 1
6 1 2 . . . . . . . . . 31 . N parsed_2l21 1
7 1 1 . . . . . . . . . 56 . O parsed_2l21 1
7 1 2 . . . . . . . . . 73 . N parsed_2l21 1
8 1 1 . . . . . . . . . 58 . O parsed_2l21 1
8 1 2 . . . . . . . . . 44 . N parsed_2l21 1
9 1 1 . . . . . . . . . 59 . O parsed_2l21 1
9 1 2 . . . . . . . . . 70 . N parsed_2l21 1
10 1 1 . . . . . . . . . 60 . O parsed_2l21 1
10 1 2 . . . . . . . . . 42 . N parsed_2l21 1
11 1 1 . . . . . . . . . 71 . O parsed_2l21 1
11 1 2 . . . . . . . . . 58 . N parsed_2l21 1
12 1 1 . . . . . . . . . 78 . O parsed_2l21 1
12 1 2 . . . . . . . . . 85 . N parsed_2l21 1
13 1 1 . . . . . . . . . 84 . O parsed_2l21 1
13 1 2 . . . . . . . . . 108 . N parsed_2l21 1
14 1 1 . . . . . . . . . 85 . O parsed_2l21 1
14 1 2 . . . . . . . . . 78 . N parsed_2l21 1
15 1 1 . . . . . . . . . 86 . O parsed_2l21 1
15 1 2 . . . . . . . . . 106 . N parsed_2l21 1
16 1 1 . . . . . . . . . 88 . O parsed_2l21 1
16 1 2 . . . . . . . . . 104 . N parsed_2l21 1
17 1 1 . . . . . . . . . 89 . O parsed_2l21 1
17 1 2 . . . . . . . . . 72 . N parsed_2l21 1
18 1 1 . . . . . . . . . 104 . O parsed_2l21 1
18 1 2 . . . . . . . . . 88 . N parsed_2l21 1
19 1 1 . . . . . . . . . 105 . O parsed_2l21 1
19 1 2 . . . . . . . . . 134 . N parsed_2l21 1
20 1 1 . . . . . . . . . 106 . O parsed_2l21 1
20 1 2 . . . . . . . . . 86 . N parsed_2l21 1
21 1 1 . . . . . . . . . 107 . O parsed_2l21 1
21 1 2 . . . . . . . . . 136 . N parsed_2l21 1
22 1 1 . . . . . . . . . 108 . O parsed_2l21 1
22 1 2 . . . . . . . . . 84 . N parsed_2l21 1
23 1 1 . . . . . . . . . 109 . O parsed_2l21 1
23 1 2 . . . . . . . . . 138 . N parsed_2l21 1
24 1 1 . . . . . . . . . 121 . O parsed_2l21 1
24 1 2 . . . . . . . . . 135 . N parsed_2l21 1
25 1 1 . . . . . . . . . 124 . O parsed_2l21 1
25 1 2 . . . . . . . . . 133 . N parsed_2l21 1
26 1 1 . . . . . . . . . 126 . O parsed_2l21 1
26 1 2 . . . . . . . . . 131 . N parsed_2l21 1
27 1 1 . . . . . . . . . 131 . O parsed_2l21 1
27 1 2 . . . . . . . . . 126 . N parsed_2l21 1
28 1 1 . . . . . . . . . 132 . O parsed_2l21 1
28 1 2 . . . . . . . . . 105 . N parsed_2l21 1
29 1 1 . . . . . . . . . 133 . O parsed_2l21 1
29 1 2 . . . . . . . . . 123 . N parsed_2l21 1
30 1 1 . . . . . . . . . 134 . O parsed_2l21 1
30 1 2 . . . . . . . . . 107 . N parsed_2l21 1
31 1 1 . . . . . . . . . 135 . O parsed_2l21 1
31 1 2 . . . . . . . . . 121 . N parsed_2l21 1
32 1 1 . . . . . . . . . 136 . O parsed_2l21 1
32 1 2 . . . . . . . . . 109 . N parsed_2l21 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 2.8 2.6 3.0 parsed_2l21 1
2 1 . . . . . 2.8 2.6 3.0 parsed_2l21 1
3 1 . . . . . 2.8 2.6 3.0 parsed_2l21 1
4 1 . . . . . 2.8 2.6 3.0 parsed_2l21 1
5 1 . . . . . 2.8 2.6 3.0 parsed_2l21 1
6 1 . . . . . 2.8 2.6 3.0 parsed_2l21 1
7 1 . . . . . 2.8 2.6 3.0 parsed_2l21 1
8 1 . . . . . 2.8 2.6 3.0 parsed_2l21 1
9 1 . . . . . 2.8 2.6 3.0 parsed_2l21 1
10 1 . . . . . 2.8 2.6 3.0 parsed_2l21 1
11 1 . . . . . 2.8 2.6 3.0 parsed_2l21 1
12 1 . . . . . 2.8 2.6 3.0 parsed_2l21 1
13 1 . . . . . 2.8 2.6 3.0 parsed_2l21 1
14 1 . . . . . 2.8 2.6 3.0 parsed_2l21 1
15 1 . . . . . 2.8 2.6 3.0 parsed_2l21 1
16 1 . . . . . 2.8 2.6 3.0 parsed_2l21 1
17 1 . . . . . 2.8 2.6 3.0 parsed_2l21 1
18 1 . . . . . 2.8 2.6 3.0 parsed_2l21 1
19 1 . . . . . 2.8 2.6 3.0 parsed_2l21 1
20 1 . . . . . 2.8 2.6 3.0 parsed_2l21 1
21 1 . . . . . 2.8 2.6 3.0 parsed_2l21 1
22 1 . . . . . 2.8 2.6 3.0 parsed_2l21 1
23 1 . . . . . 2.8 2.6 3.0 parsed_2l21 1
24 1 . . . . . 2.8 2.6 3.0 parsed_2l21 1
25 1 . . . . . 2.8 2.6 3.0 parsed_2l21 1
26 1 . . . . . 2.8 2.6 3.0 parsed_2l21 1
27 1 . . . . . 2.8 2.6 3.0 parsed_2l21 1
28 1 . . . . . 2.8 2.6 3.0 parsed_2l21 1
29 1 . . . . . 2.8 2.6 3.0 parsed_2l21 1
30 1 . . . . . 2.8 2.6 3.0 parsed_2l21 1
31 1 . . . . . 2.8 2.6 3.0 parsed_2l21 1
32 1 . . . . . 2.8 2.6 3.0 parsed_2l21 1
stop_
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1 =========================================================== 1 1 1 1 parsed_2l21 1
2
;
mainchain hydrogen bond distance restraints
automatically generated by script hydrogen_bonds.inp
O--N distance <= 3.2 Angstrom
C--O--N angle >= 120.0 degrees
input structure file: /home/chxcw/Structure_calc/Chicken/run11/begin/Chicken.psf
input coordinate file: /home/chxcw/Structure_calc/Chicken/List_281108/chicken_sanger_hadded.pdb
edited using initial structures, X-strand beta NOEs and TALOS/CSI angles
CNS version: 1.2 date: 16-Dec-2008 user: chxcw
;
2 1 9 51 parsed_2l21 1
3 =========================================================== 10 1 10 1 parsed_2l21 1
4 "echo=off message=off" 12 1 12 28 parsed_2l21 1
5
;
assign ( segid "" and resid 68 and name O )
( segid "" and resid 61 and name N ) 2.8 0.2 0.2
;
44 1 45 58 parsed_2l21 1
6 "echo=on message=on" 117 1 117 26 parsed_2l21 1
stop_
loop_
_Dist_constraint_parse_err.ID
_Dist_constraint_parse_err.Content
_Dist_constraint_parse_err.Begin_line
_Dist_constraint_parse_err.Begin_column
_Dist_constraint_parse_err.End_line
_Dist_constraint_parse_err.End_column
_Dist_constraint_parse_err.Entry_ID
_Dist_constraint_parse_err.Distance_constraint_list_ID
1
;
end
flags include noe end
;
113 1 115 21 parsed_2l21 1
stop_
save_
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